1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone

C26H33N5O3 — CID 86342284

IUPAC1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone
SMILESCCc1cccc(-c2nnn(CC(=O)c3cc(N4CCOCC4)c(OC)c(C(C)(C)C)c3)n2)c1
InChIInChI=1S/C26H33N5O3/c1-6-18-8-7-9-19(14-18)25-27-29-31(28-25)17-23(32)20-15-21(26(2,3)4)24(33-5)22(16-20)30-10-12-34-13-11-30/h7-9,14-16H,6,10-13,17H2,1-5H3
InChIKeyBPNKUXPPVIOPIV-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.93
Rot. Bonds7

About 1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone

1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone (PubChem CID 86342284) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone
PubChem CID86342284
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone
SMILESCCc1cccc(-c2nnn(CC(=O)c3cc(N4CCOCC4)c(OC)c(C(C)(C)C)c3)n2)c1
InChIInChI=1S/C26H33N5O3/c1-6-18-8-7-9-19(14-18)25-27-29-31(28-25)17-23(32)20-15-21(26(2,3)4)24(33-5)22(16-20)30-10-12-34-13-11-30/h7-9,14-16H,6,10-13,17H2,1-5H3
InChIKeyBPNKUXPPVIOPIV-UHFFFAOYSA-N
XLogP3.93
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]ethanone
CID 90466367
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(2-fluoro-3,4-dimethoxyphenyl)tetrazol-2-yl]ethanone
CID 90466209
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(2-chloro-4-methylphenyl)tetrazol-2-yl]ethanone
CID 86343126
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(2-chloro-3,4-diethoxyphenyl)tetrazol-2-yl]ethanone
CID 90466211
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-(6-ethyl-3-imino-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)ethanone;2,2,2-trifluoroacetic acid
CID 66941396
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[[4-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 90480426
2-(15-amino-2,11-dioxa-6,16-diazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),4(9),5,7,12,14,17-heptaen-16-yl)-1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)ethanone
CID 123520239
methyl 2-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-iminoimidazo[1,5-a]pyridine-6-carboxylate
CID 24882926
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-(3-methylidene-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)ethanone
CID 143842686
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-(6,7-diethoxy-1-iminoisoquinolin-2-yl)ethanone
CID 66550253
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[[4-[(E)-(2-methylphenyl)methylideneamino]-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 90465915
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-(5,6-diethoxy-3-imino-1,2-benzoxazol-2-yl)ethanone
CID 66550032

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone (CID 86342284) is 1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone is CCc1cccc(-c2nnn(CC(=O)c3cc(N4CCOCC4)c(OC)c(C(C)(C)C)c3)n2)c1.
What is the InChIKey of 1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone?
The InChIKey is BPNKUXPPVIOPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-6-18-8-7-9-19(14-18)25-27-29-31(28-25)17-23(32)20-15-21(26(2,3)4)24(33-5)22(16-20)30-10-12-34-13-11-30/h7-9,14-16H,6,10-13,17H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone?
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone has a molecular weight of 463.58 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(3-ethylphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 86342284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).